N,N-Dimethyl-2-[(3'-hydroxyphenyl)thio]-5-methoxybenzylamine; maleate

SpectraBase Compound ID	FT48WdSAxfy
InChI	InChI=1S/C16H19NO2S.C4H4O4/c1-17(2)11-12-9-14(19-3)7-8-16(12)20-15-6-4-5-13(18)10-15;5-3(6)1-2-4(7)8/h4-10,18H,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	KMLIOLVMMXAPPI-WLHGVMLRSA-N Google Search
Mol Weight	405.46 g/mol
Molecular Formula	C20H23NO6S
Exact Mass	405.124609 g/mol

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SpectraBase Spectrum ID	6VZAgD2RHml
Name	N,N-Dimethyl-2-[(3'-hydroxyphenyl)thio]-5-methoxybenzylamine; maleate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	405.124608633 u
Formula	C20H23NO6S
InChI	InChI=1S/C16H19NO2S.C4H4O4/c1-17(2)11-12-9-14(19-3)7-8-16(12)20-15-6-4-5-13(18)10-15;5-3(6)1-2-4(7)8/h4-10,18H,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey	KMLIOLVMMXAPPI-WLHGVMLRSA-N
Molecular Weight	405.465 g/mol
SMILES	C(\C=C\C(=O)O)(=O)O.C=1(C(SC=2C=C(O)C=CC2)=CC=C(C1)OC)CN(C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.804403